2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide

C31H43N3O4 — CID 46904007

IUPAC2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C31H43N3O4/c1-24-28(31(37)33-18-20-38-21-19-33)22-27(30(36)34(24)17-15-26-12-6-3-7-13-26)23-29(35)32-16-9-8-14-25-10-4-2-5-11-25/h2,4-5,10-12,27H,3,6-9,13-23H2,1H3,(H,32,35)
InChIKeyMNONGWKYCQMNSG-UHFFFAOYSA-N
MW521.70 g/mol
LogP4.39
Rot. Bonds11

About 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide

2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide (PubChem CID 46904007) has the molecular formula C31H43N3O4 and a molecular weight of 521.70 g/mol. Its IUPAC name is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide.

Molecular Properties

Compound Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
PubChem CID46904007
Molecular FormulaC31H43N3O4
Molecular Weight521.70 g/mol
Exact Mass521.33
IUPAC Name2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide
SMILESCC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1
InChIInChI=1S/C31H43N3O4/c1-24-28(31(37)33-18-20-38-21-19-33)22-27(30(36)34(24)17-15-26-12-6-3-7-13-26)23-29(35)32-16-9-8-14-25-10-4-2-5-11-25/h2,4-5,10-12,27H,3,6-9,13-23H2,1H3,(H,32,35)
InChIKeyMNONGWKYCQMNSG-UHFFFAOYSA-N
XLogP4.39
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.70
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-cyclopropylacetamide
CID 51359316
2-[1-benzyl-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 46903962
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 51359423
1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-3-[2-oxo-2-(2-pyridin-2-ylethylamino)ethyl]-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359398
3-[2-(benzhydrylamino)-2-oxoethyl]-1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-2-oxo-N,N-di(propan-2-yl)-3,4-dihydropyridine-5-carboxamide
CID 51359395
2-[5-(azepane-1-carbonyl)-1-benzyl-6-methyl-2-oxo-3,4-dihydropyridin-3-yl]-N-[3-(dimethylamino)propyl]acetamide
CID 51359422
1-[2-(cyclohexen-1-yl)ethyl]-3-[2-(cyclopentylamino)-2-oxoethyl]-N,N,6-trimethyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 46904942
methyl (3R,4aR,5R,7R)-1-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-oxo-3-[2-oxo-2-(4-phenylbutylamino)ethyl]-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate
CID 56589256
2-[5-(azepane-1-carbonyl)-6-methyl-2-oxo-1-[3-(2-oxopyrrolidin-1-yl)propyl]-3,4-dihydropyridin-3-yl]-N-(2-pyridin-2-ylethyl)acetamide
CID 53299456
N-[2-(cyclohexen-1-yl)ethyl]-2-(3-phenylpropylamino)acetamide
CID 108993941
methyl (3R,4aR,5R,7R)-3-[2-(butylamino)-2-oxoethyl]-1-[2-(cyclohexen-1-yl)ethyl]-5-methyl-2-oxo-7-(phenylmethoxymethyl)-3,4,5,7-tetrahydropyrano[4,3-b]pyridine-4a-carboxylate
CID 56589254
2-[2-(cyclohexen-1-yl)ethylamino]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide
CID 54815513

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The IUPAC name of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide (CID 46904007) is 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide.
What is the SMILES notation for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The canonical SMILES for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide is CC1=C(C(=O)N2CCOCC2)CC(CC(=O)NCCCCc2ccccc2)C(=O)N1CCC1=CCCCC1.
What is the InChIKey of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
The InChIKey is MNONGWKYCQMNSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H43N3O4/c1-24-28(31(37)33-18-20-38-21-19-33)22-27(30(36)34(24)17-15-26-12-6-3-7-13-26)23-29(35)32-16-9-8-14-25-10-4-2-5-11-25/h2,4-5,10-12,27H,3,6-9,13-23H2,1H3,(H,32,35).
What are the key properties of 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide?
2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide has a molecular weight of 521.70 g/mol, XLogP of 4.39, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(cyclohexen-1-yl)ethyl]-6-methyl-5-(morpholine-4-carbonyl)-2-oxo-3,4-dihydropyridin-3-yl]-N-(4-phenylbutyl)acetamide is sourced from PubChem (CID 46904007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).